1-(cyclohexylmethyl)-N,N-dimethyl-5-[methyl(1,2-oxazol-3-ylmethyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 366998
• Molecular Formular: C22H33N5O2
• Molecular Mass: 399.52972
• Monoisotopic Mass: 399.26342532
• SMILES: c1(c2c(n(n1)CC1CCCCC1)CCC(C2)N(Cc1nocc1)C)C(=O)N(C)C
• Canonical SMILES: CN(C1CCc2c(C1)c(nn2CC1CCCCC1)C(=O)N(C)C)Cc1ccon1
• InChI: InChI=1S/C22H33N5O2/c1-25(2)22(28)21-19-13-18(26(3)15-17-11-12-29-24-17)9-10-20(19)27(23-21)14-16-7-5-4-6-8-16/h11-12,16,18H,4-10,13-15H2,1-3H3
• InChIKey: RGEYPPGXLDHVLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N,N-dimethyl-5-[methyl(1,2-oxazol-3-ylmethyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N,N-dimethyl-5-[methyl(1,2-oxazol-3-ylmethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-5-[(3-isoxazolylmethyl)(methyl)amino]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0972928
• LogD (pH = 7.4): 2.6485121
• Log P: 2.9080982
• Molar Refractivity: 125.6486 cm^3
• Polarizability: 43.02051 Å^3
• Polar Surface Area: 67.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.77
• LOG S: -3.79
• Polar Surface Area: 67.4 Å^2
• Rotatable Bonds: 6